(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone

C15H18Cl2N2O3S — CID 134033948

IUPAC(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H18Cl2N2O3S/c16-13-3-1-2-12(14(13)17)15(20)19-7-5-18(6-8-19)11-4-9-23(21,22)10-11/h1-3,11H,4-10H2
InChIKeyAXFXTQGASYXKLJ-UHFFFAOYSA-N
MW377.29 g/mol
LogP1.94
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone (PubChem CID 134033948) has the molecular formula C15H18Cl2N2O3S and a molecular weight of 377.29 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
PubChem CID134033948
Molecular FormulaC15H18Cl2N2O3S
Molecular Weight377.29 g/mol
Exact Mass376.04
IUPAC Name(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H18Cl2N2O3S/c16-13-3-1-2-12(14(13)17)15(20)19-7-5-18(6-8-19)11-4-9-23(21,22)10-11/h1-3,11H,4-10H2
InChIKeyAXFXTQGASYXKLJ-UHFFFAOYSA-N
XLogP1.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dichlorophenyl)-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
CID 91819175
2-(2,6-dichlorophenyl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 84855092
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 17420074
(2-anilinophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 71944338
[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 8530152
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]benzonitrile
CID 26009658
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 55384994
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 25498955
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 55686594
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 47126271
(2-chlorophenyl)-[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazin-1-yl]methanone
CID 55813839
(2-chloro-3-nitrophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 115931036

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone (CID 134033948) is (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
The InChIKey is AXFXTQGASYXKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3S/c16-13-3-1-2-12(14(13)17)15(20)19-7-5-18(6-8-19)11-4-9-23(21,22)10-11/h1-3,11H,4-10H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone has a molecular weight of 377.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134033948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).